Type : Macrolide, Polyketide, Natural, Antibiotic
Chemical_Nomenclature : (3~{R},4~{S},5~{S},6~{R},8~{R},10~{E},12~{E},14~{R},15~{R})-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-3,15-bis(oxidanyl)-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadeca-10,12-dienoic acid
Canonical SMILES : CC[C@H]([C@@H](CO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)C)O)OC)OC)\/C=C(C)\/C=C\/C(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@@H](CC(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)O
InChI : InChI=1S\/C46H79NO18\/c1-13-31(49)30(22-60-45-42(59-12)41(58-11)37(54)26(5)62-45)18-23(2)14-15-32(50)24(3)19-29(16-17-48)39(25(4)33(51)20-34(52)53)65-44-38(55)36(47(9)10)40(27(6)63-44)64-35-21-46(8,57)43(56)28(7)61-35\/h14-15,17-18,24-31,33,35-45,49,51,54-57H,13,16,19-22H2,1-12H3,(H,52,53)\/b15-14+,23-18+\/t24-,25+,26-,27-,28+,29+,30-,31-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-\/m1\/s1
InChIKey : LABOOMGUZLDCMV-WBBQIANUSA-N
Other name(s) : (3~{R},4~{S},5~{S},6~{R},8~{R},10~{E},12~{E},14~{R},15~{R})-14-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4-(dimethylamino)-5-[(2~{S},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4,8,12-trimethyl-3,15-bis(oxidanyl)-9-oxidanylidene-6-(2-oxidanylideneethyl)heptadeca-10,12-dienoic acid
Structures : 11TV
Families : No family
No reference